CID 120322

Dtxsid10987570

Structural Information

Molecular Formula
C5H4Cl9O3P
SMILES
C(C(Cl)(Cl)Cl)OP(=O)(C(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C5H4Cl9O3P/c6-3(7,8)1-16-18(15,5(12,13)14)17-2-4(9,10)11/h1-2H2
InChIKey
OLQIXLNFSLDJDA-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-2-[2,2,2-trichloroethoxy(trichloromethyl)phosphoryl]oxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.70947 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.716746 209.4
[M+Na]+ 480.698688 211.0
[M-H]- 456.702194 198.7
[M+NH4]+ 475.743293 214.1
[M+K]+ 496.672628 211.3
[M+H-H2O]+ 440.706730 205.5
[M+HCOO]- 502.707671 189.0
[M+CH3COO]- 516.723321 226.3
[M+Na-2H]- 478.684136 201.7
[M]+ 457.70892142 197.7
[M]- 457.71001858 197.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.